Geometry & MOs

Info

ID:

306516

PubChem CID:

125084556

Reduced:

SCl2N3O5C25H33 (1)

Stoich.:

AB2C3D5E25F33 (1)

Weight, g/mol:

609.242806

ΔHf, kcal/mol:

-207.13

Dipole, Da:

1.82

IP(EA), eV:

 -9.32(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[[2-(3-chloro-2-methyl-N-methylsulfonylanilino)acetyl]-[(2-methylphenyl)methyl]amino]-N-cyclohexyl-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)N(CC(=O)N(CC2=C(C=C(C=C2)Cl)Cl)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)C

DOS

IR

Vibrations